4,5-dimethyl-1-(4-nitrophenyl)hex-4-en-1-yn-3-ol

Systemtic Name: 4,5-dimethyl-1-(4-nitrophenyl)hex-4-en-1-yn-3-ol Openeye Name: 4,5-dimethyl-1-(4-nitrophenyl)hex-4-en-1-yn-3-ol CAS Name: 4,5-dimethyl-1-(4-nitrophenyl)-3-hex-4-en-1-ynol IUPAC Name: 4,5-dimethyl-1-(4-nitrophenyl)hex-4-en-1-yn-3-ol Traditional Name: 4,5-dimethyl-1-(4-nitrophenyl)hex-4-en-1-yn-3-ol Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C(C#CC1=CC=C(C=C1)[N+](=O)[O-])O)C

Isomeric SMILES

CC(=C(C)C(C#CC1=CC=C(C=C1)[N+](=O)[O-])O)C

InChI

InChI=1S/C14H15NO3/c1-10(2)11(3)14(16)9-6-12-4-7-13(8-5-12)15(17)18/h4-5,7-8,14,16H,1-3H3